CID 421670

Methylnitramine

Structural Information

Molecular Formula
CH4N2O2
SMILES
CN[N+](=O)[O-]
InChI
InChI=1S/CH4N2O2/c1-2-3(4)5/h2H,1H3
InChIKey
ARCZSDSOONGBRX-UHFFFAOYSA-N
Compound name
N-methylnitramide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

198
Patents

76.027275 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 77.034551 107.5
[M+Na]+ 99.016493 115.2
[M-H]- 75.019999 108.6
[M+NH4]+ 94.061098 130.7
[M+K]+ 114.99043 112.4
[M+H-H2O]+ 59.024535 108.0
[M+HCOO]- 121.02548 135.3
[M+CH3COO]- 135.04113 157.7
[M+Na-2H]- 97.001941 118.1
[M]+ 76.026726 105.1
[M]- 76.027824 105.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.